| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 77.3 | Confident | 85.3 | Confident | 178 Ų | 178 | 60.5 Ų | 60.5 | 88% | 0.877 | 31% | 0.313 | S | S | * | . | 0 | -36.5 | 0 | -52.9 | -46.4 | -94.6 | 0 | 0 | 114.2 | Y3 V4 A5 | M1-Y3 PolarHBondContact O-N 2.69Å; M1-V4 PolarHBondContact O-N 3.45Å; M1-A5 PolarHBondContact O-N 2.81Å | |||
| 2 | R | 83.9 | Confident | 85.2 | Confident | 152 Ų | 152 | 67 Ų | 67 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.2 | -46.6 | -176.4 | -41.9 | -180 | -170.7 | 175 | 1.3 | 114.5 | A5 A6 L27 | R2-A5 PolarHBondContact O-N 3.48Å; R2-A6 PolarHBondContact O-N 3.29Å; R2-L27 HydrophobicContact CB-CD2 4.12Å |
| 3 | Y | 87.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 7% | 0.071 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -36.3 | -179 | -55.2 | -74.7 | 0 | 0 | 0 | 113.8 | M1 Y7 L27 A34 D35 R38 L39 | M1-Y3 PolarHBondContact O-N 2.69Å; Y3-Y7 WeakPolarHBondContact O-CB 3.23Å; Y3-Y7 PolarHBondContact O-N 3.31Å; Y3-L27 HydrophobicContact CD1-CD1 3.53Å; Y3-L27 HydrophobicContact CE1-CD1 3.48Å; Y3-L27 VanDerWaalsContact CE1-CD1 3.48Å; Y3-A34 HydrophobicContact CE1-CB 4.37Å; Y3-D35 WeakPolarHBondContact OH-CB 3.43Å; Y3-D35 VanDerWaalsContact OH-CG 3.23Å; Y3-D35 PolarHBondContact OH-N 3.36Å; Y3-D35 PolarHBondContact OH-OD2 3.09Å; Y3-R38 HydrophobicContact CD2-CB 4Å; Y3-R38 HydrophobicContact CE2-CB 3.68Å; Y3-R38 HydrophobicContact CE2-CG 4.46Å; Y3-L39 HydrophobicContact CD1-CB 4.06Å; Y3-L39 HydrophobicContact CD1-CG 4.07Å; Y3-L39 HydrophobicContact CE1-CB 4.26Å |
| 4 | V | 85.4 | Confident | 85 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 178.5 | -179 | 0 | 0 | 0 | 0 | 110.1 | M1 Y7 L8 V42 | M1-V4 PolarHBondContact O-N 3.45Å; V4-Y7 PolarHBondContact O-N 3.24Å; V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CG 3.35Å; V4-L8 PolarHBondContact O-N 3.48Å; V4-V42 HydrophobicContact CG2-CG1 4.14Å; V4-V42 HydrophobicContact CG2-CG2 4.36Å |
| 5 | A | 84.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 R2 Y7 L8 L9 | M1-A5 PolarHBondContact O-N 2.81Å; R2-A5 PolarHBondContact O-N 3.48Å; A5-Y7 VanDerWaalsContact C-N 3.34Å; A5-Y7 PolarHBondContact O-N 2.89Å; A5-L8 PolarHBondContact O-N 3.41Å; A5-L9 WeakPolarHBondContact O-CG 3.45Å; A5-L9 PolarHBondContact O-N 3.17Å |
| 6 | A | 88.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.017 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2 L9 A10 I23 I26 L27 | R2-A6 PolarHBondContact O-N 3.29Å; A6-L9 PolarHBondContact O-N 2.65Å; A6-A10 PolarHBondContact O-N 2.82Å; A6-A10 VanDerWaalsContact O-N 3.09Å; A6-I23 HydrophobicContact CB-CG2 3.9Å; A6-I26 HydrophobicContact CB-CB 4.38Å; A6-I26 HydrophobicContact CB-CG2 3.86Å; A6-L27 HydrophobicContact CB-CD2 4.2Å; A6-L27 HydrophobicContact CB-CG 4.26Å |
| 7 | Y | 86.8 | Confident | 84 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 2% | 0.024 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.1 | -172.4 | -82 | 0 | 0 | 0 | 111.7 | Y3 V4 A5 A10 V11 P18 I23 L46 I51 | Y3-Y7 WeakPolarHBondContact O-CB 3.23Å; Y3-Y7 PolarHBondContact O-N 3.31Å; V4-Y7 PolarHBondContact O-N 3.24Å; A5-Y7 VanDerWaalsContact C-N 3.34Å; A5-Y7 PolarHBondContact O-N 2.89Å; Y7-A10 PolarHBondContact O-N 3.18Å; Y7-V11 HydrophobicContact CD1-CG2 4.03Å; Y7-V11 HydrophobicContact CE1-CG2 3.84Å; Y7-V11 WeakPolarHBondContact O-CG2 2.82Å; Y7-V11 PolarHBondContact O-N 3.27Å; Y7-V11 VanDerWaalsContact O-N 3.12Å; Y7-P18 HydrophobicContact CD1-CG 4.14Å; Y7-P18 HydrophobicContact CD2-CG 3.41Å; Y7-P18 VanDerWaalsContact CD2-CG 3.41Å; Y7-P18 HydrophobicContact CE1-CG 4.08Å; Y7-P18 HydrophobicContact CE2-CG 3.32Å; Y7-P18 HydrophobicContact CG-CG 3.81Å; Y7-I23 HydrophobicContact CD2-CD1 3.82Å; Y7-L46 HydrophobicContact CD1-CB 4.44Å; Y7-L46 HydrophobicContact CD1-CD1 3.64Å; Y7-L46 HydrophobicContact CD2-CD1 4.18Å; Y7-L46 HydrophobicContact CE1-CB 3.92Å; Y7-L46 HydrophobicContact CE1-CD1 3.99Å; Y7-L46 HydrophobicContact CE2-CB 4.16Å; Y7-L46 HydrophobicContact CE2-CD1 4.5Å; Y7-L46 HydrophobicContact CG-CD1 3.78Å; Y7-I51 HydrophobicContact CE1-CD1 3.77Å; Y7-I51 HydrophobicContact CE1-CG1 4.32Å |
| 8 | L | 83.8 | Confident | 84 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 177.4 | -69.1 | 174.5 | 0 | 0 | 0 | 112.6 | V4 A5 A10 V11 L12 I51 M55 | V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CG 3.35Å; V4-L8 PolarHBondContact O-N 3.48Å; A5-L8 PolarHBondContact O-N 3.41Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.2Å; L8-V11 PolarHBondContact O-N 3.45Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.21Å; L8-L12 PolarHBondContact O-N 3.06Å; L8-I51 HydrophobicContact CD2-CG2 3.39Å; L8-M55 HydrophobicContact CD2-CG 4.39Å; L8-M55 HydrophobicContact CD2-SD 4.17Å |
| 9 | L | 85.4 | Confident | 84.1 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.7 | -41.2 | 176 | -72.7 | 173.9 | 0 | 0 | 0 | 111.6 | A5 A6 V11 L12 G13 I26 | A5-L9 WeakPolarHBondContact O-CG 3.45Å; A5-L9 PolarHBondContact O-N 3.17Å; A6-L9 PolarHBondContact O-N 2.65Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 3.24Å; L9-G13 PolarHBondContact O-N 3.27Å; L9-I26 HydrophobicContact CD1-CG2 4.33Å |
| 10 | A | 87.7 | Confident | 84.2 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A6 Y7 L8 G13 N15 P18 I26 | A6-A10 PolarHBondContact O-N 2.82Å; A6-A10 VanDerWaalsContact O-N 3.09Å; Y7-A10 PolarHBondContact O-N 3.18Å; L8-A10 VanDerWaalsContact C-N 3.3Å; L8-A10 PolarHBondContact O-N 3.2Å; A10-G13 PolarHBondContact O-N 2.93Å; A10-N15 WeakPolarHBondContact O-CA 3.44Å; A10-N15 VanDerWaalsContact O-CB 3.23Å; A10-N15 WeakPolarHBondContact O-CB 3.48Å; A10-N15 PolarHBondContact O-N 2.76Å; A10-P18 HydrophobicContact CB-CB 3.4Å; A10-P18 HydrophobicContact CB-CG 4.11Å; A10-I26 HydrophobicContact CB-CD1 3.8Å |
| 11 | V | 87.2 | Confident | 84.4 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 19% | 0.188 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | Y7 L8 L9 G13 G14 N15 P18 I51 | Y7-V11 HydrophobicContact CD1-CG2 4.03Å; Y7-V11 HydrophobicContact CE1-CG2 3.84Å; Y7-V11 WeakPolarHBondContact O-CG2 2.82Å; Y7-V11 PolarHBondContact O-N 3.27Å; Y7-V11 VanDerWaalsContact O-N 3.12Å; L8-V11 PolarHBondContact O-N 3.45Å; L9-V11 VanDerWaalsContact C-N 3.34Å; V11-G13 PolarHBondContact O-N 3.03Å; V11-G14 PolarHBondContact O-N 3.44Å; V11-N15 WeakPolarHBondContact CA-O 3.43Å; V11-P18 HydrophobicContact CG2-CG 3.99Å; V11-I51 HydrophobicContact CB-CD1 4Å; V11-I51 HydrophobicContact CG1-CD1 3.49Å; V11-I51 VanDerWaalsContact CG1-CD1 3.49Å; V11-I51 HydrophobicContact CG2-CD1 3.38Å |
| 12 | L | 84.4 | Confident | 85 | Confident | 139 Ų | 139 | 66.4 Ų | 66.4 | 73% | 0.728 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.3 | -30.4 | 175.3 | -69.5 | 174.2 | 0 | 0 | 0 | 111.8 | L8 L9 G14 | L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.21Å; L8-L12 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 3.24Å; L12-G14 PolarHBondContact O-N 3.43Å; L12-G14 VanDerWaalsContact O-N 3.12Å |
| 13 | G | 85.1 | Confident | 85.1 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 5.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L9 A10 V11 | L9-G13 PolarHBondContact O-N 3.27Å; A10-G13 PolarHBondContact O-N 2.93Å; V11-G13 PolarHBondContact O-N 3.03Å |
| 14 | G | 83.3 | Confident | 85.2 | Confident | 62 Ų | 62 | 62 Ų | 62 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 0 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V11 L12 T16 | V11-G14 PolarHBondContact O-N 3.44Å; L12-G14 PolarHBondContact O-N 3.43Å; L12-G14 VanDerWaalsContact O-N 3.12Å; G14-T16 PolarHBondContact O-N 3.05Å |
| 15 | N | 80.9 | Confident | 85.5 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | trans | -92.8 | 86.4 | 179.9 | -143.5 | -3.9 | 0 | 0 | 0 | 109.9 | A10 V11 K17 P18 | A10-N15 WeakPolarHBondContact O-CA 3.44Å; A10-N15 VanDerWaalsContact O-CB 3.23Å; A10-N15 WeakPolarHBondContact O-CB 3.48Å; A10-N15 PolarHBondContact O-N 2.76Å; V11-N15 WeakPolarHBondContact CA-O 3.43Å; N15-K17 PolarHBondContact O-N 3.22Å; N15-P18 WeakPolarHBondContact O-CD 3.47Å | ||
| 16 | T | 77.3 | Confident | 85.7 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 66% | 0.656 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -59.8 | -19.9 | -171.6 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | G14 | G14-T16 PolarHBondContact O-N 3.05Š|
| 17 | K | 79.2 | Confident | 85.7 | Confident | 170 Ų | 170 | 65 Ų | 65 | 74% | 0.739 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -134.8 | 78.5 | 177.2 | -66.5 | -177.7 | -176.6 | 175.3 | 0 | 109.8 | N15 S19 | N15-K17 PolarHBondContact O-N 3.22Å; K17-S19 PolarHBondContact O-N 3.12Å |
| 18 | P | 83.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | trans | -68.6 | 133 | -176.7 | 31.7 | -36.7 | 0 | 0 | 0 | 110.6 | Y7 A10 V11 N15 | Y7-P18 HydrophobicContact CD1-CG 4.14Å; Y7-P18 HydrophobicContact CD2-CG 3.41Å; Y7-P18 VanDerWaalsContact CD2-CG 3.41Å; Y7-P18 HydrophobicContact CE1-CG 4.08Å; Y7-P18 HydrophobicContact CE2-CG 3.32Å; Y7-P18 HydrophobicContact CG-CG 3.81Å; A10-P18 HydrophobicContact CB-CB 3.4Å; A10-P18 HydrophobicContact CB-CG 4.11Å; V11-P18 HydrophobicContact CG2-CG 3.99Å; N15-P18 WeakPolarHBondContact O-CD 3.47Å | ||
| 19 | S | 86.4 | Confident | 86.2 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | trans | -86.9 | 167.5 | -179.5 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | K17 K21 D22 I23 | K17-S19 PolarHBondContact O-N 3.12Å; S19-K21 PolarHBondContact O-N 3.04Å; S19-K21 PolarHBondContact OG-N 2.99Å; S19-D22 WeakPolarHBondContact CB-OD2 3.25Å; S19-D22 PolarHBondContact N-OD2 3.06Å; S19-D22 PolarHBondContact O-N 2.99Å; S19-D22 PolarHBondContact OG-N 3.48Å; S19-D22 PolarHBondContact OG-OD1 2.88Å; S19-D22 PolarHBondContact OG-OD2 3.12Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.36Å | ||
| 20 | A | 87.3 | Confident | 86.3 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 26% | 0.256 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -26.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K24 L39 I43 | A20-K24 WeakPolarHBondContact O-CG 3.35Å; A20-K24 PolarHBondContact O-N 3.24Å; A20-K24 VanDerWaalsContact O-N 3.17Å; A20-L39 HydrophobicContact CB-CD2 3.88Å; A20-I43 HydrophobicContact CB-CD1 3.75Å |
| 21 | K | 88.2 | Confident | 86.3 | Confident | 159 Ų | 159 | 73.6 Ų | 73.6 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -72 | -47.6 | 177.2 | -65.1 | -178.5 | -178.9 | 178.5 | 0 | 110.9 | S19 I23 K24 E25 | S19-K21 PolarHBondContact O-N 3.04Å; S19-K21 PolarHBondContact OG-N 2.99Å; K21-I23 PolarHBondContact O-N 3.42Å; K21-K24 WeakPolarHBondContact O-CB 3.4Å; K21-K24 PolarHBondContact O-N 3.49Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 2.92Å |
| 22 | D | 88.5 | Confident | 86.4 | Confident | 42 Ų | 42 | 74.4 Ų | 74.4 | 23% | 0.225 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 179.8 | -49 | -38.3 | 0 | 0 | 0 | 110.9 | S19 E25 I26 | S19-D22 WeakPolarHBondContact CB-OD2 3.25Å; S19-D22 PolarHBondContact N-OD2 3.06Å; S19-D22 PolarHBondContact O-N 2.99Å; S19-D22 PolarHBondContact OG-N 3.48Å; S19-D22 PolarHBondContact OG-OD1 2.88Å; S19-D22 PolarHBondContact OG-OD2 3.12Å; D22-E25 PolarHBondContact O-N 3.47Å; D22-I26 WeakPolarHBondContact O-CD1 3.45Å; D22-I26 VanDerWaalsContact O-CG1 3.25Å; D22-I26 WeakPolarHBondContact O-CG1 3.46Å; D22-I26 PolarHBondContact O-N 3.22Å |
| 23 | I | 87.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 178.2 | -63.4 | 168.5 | 0 | 0 | 0 | 111.4 | A6 Y7 S19 K21 I26 L27 L39 I43 | A6-I23 HydrophobicContact CB-CG2 3.9Å; Y7-I23 HydrophobicContact CD2-CD1 3.82Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.36Å; K21-I23 PolarHBondContact O-N 3.42Å; I23-I26 PolarHBondContact O-N 2.94Å; I23-L27 HydrophobicContact CG2-CD1 3.91Å; I23-L27 HydrophobicContact CG2-CG 4.41Å; I23-L27 WeakPolarHBondContact O-CB 3.21Å; I23-L27 VanDerWaalsContact O-CG 3.24Å; I23-L27 WeakPolarHBondContact O-CG 3.22Å; I23-L27 PolarHBondContact O-N 3.32Å; I23-L39 HydrophobicContact CB-CD1 4.2Å; I23-L39 HydrophobicContact CB-CD2 4.18Å; I23-L39 HydrophobicContact CB-CG 4.35Å; I23-L39 HydrophobicContact CD1-CD2 3.94Å; I23-L39 HydrophobicContact CG2-CD1 3.86Å; I23-L39 HydrophobicContact CG2-CD2 4.13Å; I23-L39 HydrophobicContact CG2-CG 3.83Å; I23-I43 HydrophobicContact CD1-CD1 4.05Å; I23-I43 HydrophobicContact CD1-CG1 3.93Å |
| 24 | K | 89.3 | Confident | 86.5 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 34% | 0.335 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.6 | -75.9 | 175.3 | -178.2 | -161.2 | 0 | 111.6 | A20 K21 L27 S28 A34 D36 L39 | A20-K24 WeakPolarHBondContact O-CG 3.35Å; A20-K24 PolarHBondContact O-N 3.24Å; A20-K24 VanDerWaalsContact O-N 3.17Å; K21-K24 WeakPolarHBondContact O-CB 3.4Å; K21-K24 PolarHBondContact O-N 3.49Å; K24-L27 PolarHBondContact O-N 2.97Å; K24-S28 VanDerWaalsContact O-CB 3.26Å; K24-S28 WeakPolarHBondContact O-CB 3.47Å; K24-S28 PolarHBondContact O-N 3.5Å; K24-S28 PolarHBondContact O-OG 3.48Å; K24-A34 HydrophobicContact CG-CB 3.9Å; K24-D36 WeakPolarHBondContact CE-OD1 3.38Å; K24-D36 IonicContact NZ-OD1 2.65Å; K24-D36 PolarHBondContact NZ-OD1 3.35Å; K24-D36 IonicContact NZ-OD2 2.99Å; K24-D36 PolarHBondContact NZ-OD2 3.3Å; K24-L39 HydrophobicContact CG-CD1 3.7Å |
| 25 | E | 90.4 | Very high | 86.8 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 58% | 0.584 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 176.2 | -72.6 | 175.8 | -168.4 | 0 | 0 | 110.8 | K21 D22 L27 S28 S29 | K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 2.92Å; D22-E25 PolarHBondContact O-N 3.47Å; E25-L27 PolarHBondContact O-N 2.88Å; E25-S28 WeakPolarHBondContact CA-OG 3.24Å; E25-S28 PolarHBondContact O-N 3.5Å; E25-S28 PolarHBondContact O-OG 3.22Å; E25-S29 PolarHBondContact O-N 3.17Å |
| 26 | I | 89.8 | Confident | 87.1 | Confident | 44 Ų | 44 | 74.9 Ų | 74.9 | 23% | 0.226 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.1 | -66.2 | 165 | 0 | 0 | 0 | 111.9 | A6 L9 A10 D22 I23 S29 V30 | A6-I26 HydrophobicContact CB-CB 4.38Å; A6-I26 HydrophobicContact CB-CG2 3.86Å; L9-I26 HydrophobicContact CD1-CG2 4.33Å; A10-I26 HydrophobicContact CB-CD1 3.8Å; D22-I26 WeakPolarHBondContact O-CD1 3.45Å; D22-I26 VanDerWaalsContact O-CG1 3.25Å; D22-I26 WeakPolarHBondContact O-CG1 3.46Å; D22-I26 PolarHBondContact O-N 3.22Å; I23-I26 PolarHBondContact O-N 2.94Å; I26-S29 PolarHBondContact O-OG 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å |
| 27 | L | 89.1 | Confident | 87.6 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 177.6 | -69.4 | 170.5 | 0 | 0 | 0 | 111.5 | R2 Y3 A6 I23 K24 E25 V30 G31 I32 A34 | R2-L27 HydrophobicContact CB-CD2 4.12Å; Y3-L27 HydrophobicContact CD1-CD1 3.53Å; Y3-L27 HydrophobicContact CE1-CD1 3.48Å; Y3-L27 VanDerWaalsContact CE1-CD1 3.48Å; A6-L27 HydrophobicContact CB-CD2 4.2Å; A6-L27 HydrophobicContact CB-CG 4.26Å; I23-L27 HydrophobicContact CG2-CD1 3.91Å; I23-L27 HydrophobicContact CG2-CG 4.41Å; I23-L27 WeakPolarHBondContact O-CB 3.21Å; I23-L27 VanDerWaalsContact O-CG 3.24Å; I23-L27 WeakPolarHBondContact O-CG 3.22Å; I23-L27 PolarHBondContact O-N 3.32Å; K24-L27 PolarHBondContact O-N 2.97Å; E25-L27 PolarHBondContact O-N 2.88Å; L27-V30 PolarHBondContact O-N 2.86Å; L27-G31 PolarHBondContact O-N 3.3Å; L27-I32 CarbonylContact C-O 3.42Å; L27-I32 HydrophobicContact CB-CB 4.49Å; L27-I32 PolarHBondContact O-N 3.33Å; L27-A34 HydrophobicContact CB-CB 4.41Å; L27-A34 HydrophobicContact CD1-CB 3.73Å |
| 28 | S | 89.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 57% | 0.566 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.3 | -33 | 177.8 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | K24 E25 V30 G31 | K24-S28 VanDerWaalsContact O-CB 3.26Å; K24-S28 WeakPolarHBondContact O-CB 3.47Å; K24-S28 PolarHBondContact O-N 3.5Å; K24-S28 PolarHBondContact O-OG 3.48Å; E25-S28 WeakPolarHBondContact CA-OG 3.24Å; E25-S28 PolarHBondContact O-N 3.5Å; E25-S28 PolarHBondContact O-OG 3.22Å; S28-V30 PolarHBondContact O-N 2.99Å; S28-G31 PolarHBondContact O-N 3.33Å |
| 29 | S | 90.3 | Very high | 88.1 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.6 | -26.3 | 176.4 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | E25 I26 G31 | E25-S29 PolarHBondContact O-N 3.17Å; I26-S29 PolarHBondContact O-OG 3.31Å; S29-G31 VanDerWaalsContact C-N 3.34Å |
| 30 | V | 89 | Confident | 88.2 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.8 | 174.3 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | I26 L27 S28 I32 | I26-V30 WeakPolarHBondContact O-CG2 3.41Å; L27-V30 PolarHBondContact O-N 2.86Å; S28-V30 PolarHBondContact O-N 2.99Å; V30-I32 HydrophobicContact CB-CD1 4.35Å; V30-I32 HydrophobicContact CB-CG1 4.42Å; V30-I32 HydrophobicContact CG1-CD1 4.01Å; V30-I32 HydrophobicContact CG1-CG1 4.34Å |
| 31 | G | 88.1 | Confident | 88.3 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 25.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L27 S28 S29 | L27-G31 PolarHBondContact O-N 3.3Å; S28-G31 PolarHBondContact O-N 3.33Å; S29-G31 VanDerWaalsContact C-N 3.34Å |
| 32 | I | 88.5 | Confident | 88.1 | Confident | 48 Ų | 48 | 75 Ų | 75 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | trans | -106.3 | 127.5 | -177.8 | -57.6 | 176.6 | 0 | 0 | 0 | 109.9 | L27 V30 A34 | L27-I32 CarbonylContact C-O 3.42Å; L27-I32 HydrophobicContact CB-CB 4.49Å; L27-I32 PolarHBondContact O-N 3.33Å; V30-I32 HydrophobicContact CB-CD1 4.35Å; V30-I32 HydrophobicContact CB-CG1 4.42Å; V30-I32 HydrophobicContact CG1-CD1 4.01Å; V30-I32 HydrophobicContact CG1-CG1 4.34Å; I32-A34 PolarHBondContact O-N 2.93Å | ||
| 33 | E | 85.1 | Confident | 88 | Confident | 178 Ų | 178 | 74.1 Ų | 74.1 | 83% | 0.832 | 40% | 0.399 | S | S | * | . | trans | -68.3 | 129.9 | 170.2 | -64.9 | -178.1 | 171.7 | 0 | 0 | 110.7 | ||||
| 34 | A | 86.6 | Confident | 87.9 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 26% | 0.256 | 43% | 0.425 | S | S | . | . | trans | -92.2 | 124.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y3 K24 L27 I32 D36 L39 | Y3-A34 HydrophobicContact CE1-CB 4.37Å; K24-A34 HydrophobicContact CG-CB 3.9Å; L27-A34 HydrophobicContact CB-CB 4.41Å; L27-A34 HydrophobicContact CD1-CB 3.73Å; I32-A34 PolarHBondContact O-N 2.93Å; A34-D36 PolarHBondContact O-N 2.88Å; A34-L39 HydrophobicContact CB-CD1 4.32Å | ||
| 35 | D | 88.4 | Confident | 87.7 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -82.4 | 110.9 | 171.4 | -56.1 | -49.5 | 0 | 0 | 0 | 109.8 | Y3 E37 R38 L39 | Y3-D35 WeakPolarHBondContact OH-CB 3.43Å; Y3-D35 VanDerWaalsContact OH-CG 3.23Å; Y3-D35 PolarHBondContact OH-N 3.36Å; Y3-D35 PolarHBondContact OH-OD2 3.09Å; D35-E37 VanDerWaalsContact C-N 3.27Å; D35-E37 PolarHBondContact O-N 3.43Å; D35-R38 HydrophobicContact CB-CB 4.18Å; D35-R38 HydrophobicContact CB-CG 4.18Å; D35-R38 PolarHBondContact O-N 3Å; D35-R38 VanDerWaalsContact O-N 3.15Å; D35-R38 WeakPolarHBondContact OD2-CD 3.34Å; D35-R38 IonicContact OD2-CZ 3.6Å; D35-R38 IonicContact OD2-NE 3.82Å; D35-R38 IonicContact OD2-NH1 2.8Å; D35-R38 PolarHBondContact OD2-NH1 3.41Å; D35-L39 WeakPolarHBondContact O-CB 3.19Å; D35-L39 PolarHBondContact O-N 3.43Å | ||
| 36 | D | 87.6 | Confident | 87.2 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.6 | -37.3 | -176.8 | -73.5 | -4.2 | 0 | 0 | 0 | 113.2 | K24 A34 R38 L39 N40 | K24-D36 WeakPolarHBondContact CE-OD1 3.38Å; K24-D36 IonicContact NZ-OD1 2.65Å; K24-D36 PolarHBondContact NZ-OD1 3.35Å; K24-D36 IonicContact NZ-OD2 2.99Å; K24-D36 PolarHBondContact NZ-OD2 3.3Å; A34-D36 PolarHBondContact O-N 2.88Å; D36-R38 PolarHBondContact O-N 3.2Å; D36-L39 PolarHBondContact O-N 3.21Å; D36-N40 WeakPolarHBondContact O-CB 3.46Å; D36-N40 PolarHBondContact O-N 2.95Å; D36-N40 PolarHBondContact O-ND2 3.08Å |
| 37 | E | 88.3 | Confident | 86.5 | Confident | 146 Ų | 146 | 77.2 Ų | 77.2 | 68% | 0.682 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 178.8 | -63.5 | -174.8 | -178.1 | 0 | 0 | 112.8 | D35 K41 | D35-E37 VanDerWaalsContact C-N 3.27Å; D35-E37 PolarHBondContact O-N 3.43Å; E37-K41 WeakPolarHBondContact O-CD 3.35Å; E37-K41 VanDerWaalsContact O-CG 3.25Å; E37-K41 WeakPolarHBondContact O-CG 3.33Å; E37-K41 PolarHBondContact O-N 3.4Å |
| 38 | R | 85.8 | Confident | 85.9 | Confident | 147 Ų | 147 | 81 Ų | 81 | 56% | 0.555 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -76.1 | -36.7 | -178.4 | -65.9 | -178.7 | 176.3 | 156.8 | -7.1 | 110.8 | Y3 D35 D36 K41 V42 | Y3-R38 HydrophobicContact CD2-CB 4Å; Y3-R38 HydrophobicContact CE2-CB 3.68Å; Y3-R38 HydrophobicContact CE2-CG 4.46Å; D35-R38 HydrophobicContact CB-CB 4.18Å; D35-R38 HydrophobicContact CB-CG 4.18Å; D35-R38 PolarHBondContact O-N 3Å; D35-R38 VanDerWaalsContact O-N 3.15Å; D35-R38 WeakPolarHBondContact OD2-CD 3.34Å; D35-R38 IonicContact OD2-CZ 3.6Å; D35-R38 IonicContact OD2-NE 3.82Å; D35-R38 IonicContact OD2-NH1 2.8Å; D35-R38 PolarHBondContact OD2-NH1 3.41Å; D36-R38 PolarHBondContact O-N 3.2Å; R38-K41 PolarHBondContact O-N 2.9Å; R38-V42 WeakPolarHBondContact O-CG2 3.45Å; R38-V42 PolarHBondContact O-N 2.87Å; R38-V42 VanDerWaalsContact O-N 3.08Å |
| 39 | L | 87.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 82.7 Ų | 82.7 | 1% | 0.005 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 176.1 | -155.8 | 172.8 | 0 | 0 | 0 | 110.4 | Y3 A20 I23 K24 A34 D35 D36 K41 V42 I43 | Y3-L39 HydrophobicContact CD1-CB 4.06Å; Y3-L39 HydrophobicContact CD1-CG 4.07Å; Y3-L39 HydrophobicContact CE1-CB 4.26Å; A20-L39 HydrophobicContact CB-CD2 3.88Å; I23-L39 HydrophobicContact CB-CD1 4.2Å; I23-L39 HydrophobicContact CB-CD2 4.18Å; I23-L39 HydrophobicContact CB-CG 4.35Å; I23-L39 HydrophobicContact CD1-CD2 3.94Å; I23-L39 HydrophobicContact CG2-CD1 3.86Å; I23-L39 HydrophobicContact CG2-CD2 4.13Å; I23-L39 HydrophobicContact CG2-CG 3.83Å; K24-L39 HydrophobicContact CG-CD1 3.7Å; A34-L39 HydrophobicContact CB-CD1 4.32Å; D35-L39 WeakPolarHBondContact O-CB 3.19Å; D35-L39 PolarHBondContact O-N 3.43Å; D36-L39 PolarHBondContact O-N 3.21Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 3.43Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-I43 HydrophobicContact CD2-CD1 3.18Å; L39-I43 HydrophobicContact CD2-CG1 3.81Å; L39-I43 WeakPolarHBondContact O-CG1 3.24Å; L39-I43 PolarHBondContact O-N 2.8Å |
| 40 | N | 88.5 | Confident | 84.8 | Confident | 92 Ų | 92 | 83.2 Ų | 83.2 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 178.9 | -70.7 | -28 | 0 | 0 | 0 | 112.7 | D36 I43 S44 | D36-N40 WeakPolarHBondContact O-CB 3.46Å; D36-N40 PolarHBondContact O-N 2.95Å; D36-N40 PolarHBondContact O-ND2 3.08Å; N40-I43 PolarHBondContact O-N 2.99Å; N40-S44 WeakPolarHBondContact O-CB 3.21Å; N40-S44 PolarHBondContact O-N 3.15Å; N40-S44 PolarHBondContact O-OG 2.81Å |
| 41 | K | 88.2 | Confident | 84.3 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 173.6 | -74.7 | 168 | -176.2 | 170.7 | 0 | 111.2 | E37 R38 L39 I43 S44 E45 | E37-K41 WeakPolarHBondContact O-CD 3.35Å; E37-K41 VanDerWaalsContact O-CG 3.25Å; E37-K41 WeakPolarHBondContact O-CG 3.33Å; E37-K41 PolarHBondContact O-N 3.4Å; R38-K41 PolarHBondContact O-N 2.9Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 3.43Å; K41-I43 PolarHBondContact O-N 3.22Å; K41-S44 PolarHBondContact O-N 2.72Å; K41-S44 PolarHBondContact O-OG 3.32Å; K41-E45 WeakPolarHBondContact O-CG 3.45Å; K41-E45 PolarHBondContact O-N 3.18Å |
| 42 | V | 84.7 | Confident | 83.9 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 12% | 0.121 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | -179.7 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | V4 R38 L39 E45 L46 | V4-V42 HydrophobicContact CG2-CG1 4.14Å; V4-V42 HydrophobicContact CG2-CG2 4.36Å; R38-V42 WeakPolarHBondContact O-CG2 3.45Å; R38-V42 PolarHBondContact O-N 2.87Å; R38-V42 VanDerWaalsContact O-N 3.08Å; L39-V42 PolarHBondContact O-N 3.21Å; V42-E45 PolarHBondContact O-N 3.45Å; V42-L46 HydrophobicContact CG1-CD1 3.54Å; V42-L46 HydrophobicContact CG1-CG 4.29Å; V42-L46 WeakPolarHBondContact O-CB 3.25Å; V42-L46 VanDerWaalsContact O-CG 3.27Å; V42-L46 WeakPolarHBondContact O-CG 3.37Å; V42-L46 PolarHBondContact O-N 2.97Å |
| 43 | I | 85.4 | Confident | 83.5 | Confident | 22 Ų | 22 | 85.8 Ų | 85.8 | 11% | 0.113 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60 | -48.2 | 173.9 | -71.7 | 174.3 | 0 | 0 | 0 | 110.2 | A20 I23 L39 N40 K41 E45 L46 N47 | A20-I43 HydrophobicContact CB-CD1 3.75Å; I23-I43 HydrophobicContact CD1-CD1 4.05Å; I23-I43 HydrophobicContact CD1-CG1 3.93Å; L39-I43 HydrophobicContact CD2-CD1 3.18Å; L39-I43 HydrophobicContact CD2-CG1 3.81Å; L39-I43 WeakPolarHBondContact O-CG1 3.24Å; L39-I43 PolarHBondContact O-N 2.8Å; N40-I43 PolarHBondContact O-N 2.99Å; K41-I43 PolarHBondContact O-N 3.22Å; I43-E45 VanDerWaalsContact C-N 3.28Å; I43-E45 PolarHBondContact O-N 3.4Å; I43-L46 PolarHBondContact O-N 3.03Å; I43-N47 WeakPolarHBondContact CG2-ND2 3.33Å; I43-N47 WeakPolarHBondContact O-CB 3.27Å; I43-N47 PolarHBondContact O-N 3.37Å; I43-N47 PolarHBondContact O-ND2 2.76Å; I43-N47 PolarHBondContact O-OD1 3.04Å |
| 44 | S | 86.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.8 | -34.6 | -178.8 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | N40 K41 | N40-S44 WeakPolarHBondContact O-CB 3.21Å; N40-S44 PolarHBondContact O-N 3.15Å; N40-S44 PolarHBondContact O-OG 2.81Å; K41-S44 PolarHBondContact O-N 2.72Å; K41-S44 PolarHBondContact O-OG 3.32Å |
| 45 | E | 84.5 | Confident | 82.7 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 55% | 0.547 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -80.5 | -25.4 | -179 | -72.4 | 175 | -175.4 | 0 | 0 | 113.3 | K41 V42 I43 K49 | K41-E45 WeakPolarHBondContact O-CG 3.45Å; K41-E45 PolarHBondContact O-N 3.18Å; V42-E45 PolarHBondContact O-N 3.45Å; I43-E45 VanDerWaalsContact C-N 3.28Å; I43-E45 PolarHBondContact O-N 3.4Å; E45-K49 VanDerWaalsContact O-CD 3.25Å; E45-K49 WeakPolarHBondContact O-CD 3.13Å; E45-K49 WeakPolarHBondContact O-CE 3.25Å; E45-K49 PolarHBondContact O-NZ 3.23Å |
| 46 | L | 79.7 | Confident | 82.2 | Confident | 28 Ų | 28 | 83.7 Ų | 83.7 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -99.8 | -17.4 | -178.8 | -63.5 | 178.8 | 0 | 0 | 0 | 113 | Y7 V42 I43 G48 K49 V54 | Y7-L46 HydrophobicContact CD1-CB 4.44Å; Y7-L46 HydrophobicContact CD1-CD1 3.64Å; Y7-L46 HydrophobicContact CD2-CD1 4.18Å; Y7-L46 HydrophobicContact CE1-CB 3.92Å; Y7-L46 HydrophobicContact CE1-CD1 3.99Å; Y7-L46 HydrophobicContact CE2-CB 4.16Å; Y7-L46 HydrophobicContact CE2-CD1 4.5Å; Y7-L46 HydrophobicContact CG-CD1 3.78Å; V42-L46 HydrophobicContact CG1-CD1 3.54Å; V42-L46 HydrophobicContact CG1-CG 4.29Å; V42-L46 WeakPolarHBondContact O-CB 3.25Å; V42-L46 VanDerWaalsContact O-CG 3.27Å; V42-L46 WeakPolarHBondContact O-CG 3.37Å; V42-L46 PolarHBondContact O-N 2.97Å; I43-L46 PolarHBondContact O-N 3.03Å; L46-G48 PolarHBondContact O-N 3.18Å; L46-K49 PolarHBondContact O-N 3.44Å; L46-V54 HydrophobicContact CD2-CG1 4.4Å |
| 47 | N | 75.7 | Confident | 81.6 | Confident | 88 Ų | 88 | 82.1 Ų | 82.1 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 119.9 | 173.4 | -78.9 | -16.4 | 0 | 0 | 0 | 110.7 | I43 | I43-N47 WeakPolarHBondContact CG2-ND2 3.33Å; I43-N47 WeakPolarHBondContact O-CB 3.27Å; I43-N47 PolarHBondContact O-N 3.37Å; I43-N47 PolarHBondContact O-ND2 2.76Å; I43-N47 PolarHBondContact O-OD1 3.04Å |
| 48 | G | 74.9 | Confident | 80.9 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 92% | 0.918 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 6.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L46 | L46-G48 PolarHBondContact O-N 3.18Š|
| 49 | K | 78.4 | Confident | 80.2 | Confident | 115 Ų | 115 | 75 Ų | 75 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -96.6 | 143.2 | 167.7 | -67.1 | -179.2 | -175.4 | 154.9 | 0 | 110.5 | E45 L46 I51 V54 | E45-K49 VanDerWaalsContact O-CD 3.25Å; E45-K49 WeakPolarHBondContact O-CD 3.13Å; E45-K49 WeakPolarHBondContact O-CE 3.25Å; E45-K49 PolarHBondContact O-NZ 3.23Å; L46-K49 PolarHBondContact O-N 3.44Å; K49-I51 PolarHBondContact O-N 3.03Å; K49-V54 HydrophobicContact CB-CG2 3.8Å; K49-V54 HydrophobicContact CD-CG2 4.04Å |
| 50 | D | 79.4 | Confident | 79.2 | Confident | 109 Ų | 109 | 78.5 Ų | 78.5 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | trans | -71.9 | 112.6 | 171.6 | -72.5 | -46.6 | 0 | 0 | 0 | 110 | N52 E53 V54 | D50-N52 PolarHBondContact O-N 3.02Å; D50-E53 HydrophobicContact CB-CB 4.33Å; D50-E53 HydrophobicContact CB-CG 3.99Å; D50-E53 PolarHBondContact O-N 3.23Å; D50-V54 WeakPolarHBondContact O-CG2 3.26Å; D50-V54 PolarHBondContact O-N 3.17Å | ||
| 51 | I | 78.8 | Confident | 78.2 | Confident | 29 Ų | 29 | 80.7 Ų | 80.7 | 15% | 0.149 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.6 | -35.1 | -171.8 | -61 | 168.1 | 0 | 0 | 0 | 110.5 | Y7 L8 V11 K49 E53 V54 M55 | Y7-I51 HydrophobicContact CE1-CD1 3.77Å; Y7-I51 HydrophobicContact CE1-CG1 4.32Å; L8-I51 HydrophobicContact CD2-CG2 3.39Å; V11-I51 HydrophobicContact CB-CD1 4Å; V11-I51 HydrophobicContact CG1-CD1 3.49Å; V11-I51 VanDerWaalsContact CG1-CD1 3.49Å; V11-I51 HydrophobicContact CG2-CD1 3.38Å; K49-I51 PolarHBondContact O-N 3.03Å; I51-E53 PolarHBondContact O-N 2.88Å; I51-V54 PolarHBondContact O-N 2.78Å; I51-M55 HydrophobicContact CG2-CE 4.24Å; I51-M55 HydrophobicContact CG2-CG 4.43Å; I51-M55 HydrophobicContact CG2-SD 4.42Å; I51-M55 WeakPolarHBondContact O-CB 3.35Å; I51-M55 VanDerWaalsContact O-CG 3.26Å; I51-M55 WeakPolarHBondContact O-CG 3.49Å; I51-M55 PolarHBondContact O-N 3.33Å |
| 52 | N | 79.2 | Confident | 77 | Confident | 114 Ų | 114 | 80 Ų | 80 | 61% | 0.61 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 176.5 | -64.3 | -29.3 | 0 | 0 | 0 | 112.6 | D50 M55 N56 | D50-N52 PolarHBondContact O-N 3.02Å; N52-M55 HydrophobicContact CB-CE 4.48Å; N52-M55 VanDerWaalsContact OD1-CE 3.24Å; N52-M55 WeakPolarHBondContact OD1-CE 3.45Å; N52-N56 VanDerWaalsContact O-CG 3.29Å; N52-N56 PolarHBondContact O-N 3.45Å; N52-N56 PolarHBondContact O-ND2 3.05Å |
| 53 | E | 80 | Confident | 76 | Confident | 133 Ų | 133 | 83.3 Ų | 83.3 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.8 | -38 | 176.9 | -60.2 | -171 | 163 | 0 | 0 | 111.8 | D50 I51 M55 N56 S57 | D50-E53 HydrophobicContact CB-CB 4.33Å; D50-E53 HydrophobicContact CB-CG 3.99Å; D50-E53 PolarHBondContact O-N 3.23Å; I51-E53 PolarHBondContact O-N 2.88Å; E53-M55 VanDerWaalsContact C-N 3.3Å; E53-M55 PolarHBondContact O-N 3.18Å; E53-N56 PolarHBondContact O-N 3.21Å; E53-S57 WeakPolarHBondContact O-CB 3.34Å; E53-S57 PolarHBondContact O-N 3.31Å; E53-S57 PolarHBondContact O-OG 2.83Å |
| 54 | V | 78.4 | Confident | 74.9 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 30% | 0.303 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | L46 K49 D50 I51 S57 G58 | L46-V54 HydrophobicContact CD2-CG1 4.4Å; K49-V54 HydrophobicContact CB-CG2 3.8Å; K49-V54 HydrophobicContact CD-CG2 4.04Å; D50-V54 WeakPolarHBondContact O-CG2 3.26Å; D50-V54 PolarHBondContact O-N 3.17Å; I51-V54 PolarHBondContact O-N 2.78Å; V54-S57 PolarHBondContact O-OG 2.92Å; V54-G58 VanDerWaalsContact O-CA 3.3Å; V54-G58 WeakPolarHBondContact O-CA 3.45Å; V54-G58 PolarHBondContact O-N 3.46Å |
| 55 | M | 76.2 | Confident | 73.5 | Confident | 67 Ų | 67 | 87.2 Ų | 87.2 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 175.3 | -73.5 | -173 | -60.9 | 0 | 0 | 111.7 | L8 I51 N52 E53 G58 L59 | L8-M55 HydrophobicContact CD2-CG 4.39Å; L8-M55 HydrophobicContact CD2-SD 4.17Å; I51-M55 HydrophobicContact CG2-CE 4.24Å; I51-M55 HydrophobicContact CG2-CG 4.43Å; I51-M55 HydrophobicContact CG2-SD 4.42Å; I51-M55 WeakPolarHBondContact O-CB 3.35Å; I51-M55 VanDerWaalsContact O-CG 3.26Å; I51-M55 WeakPolarHBondContact O-CG 3.49Å; I51-M55 PolarHBondContact O-N 3.33Å; N52-M55 HydrophobicContact CB-CE 4.48Å; N52-M55 VanDerWaalsContact OD1-CE 3.24Å; N52-M55 WeakPolarHBondContact OD1-CE 3.45Å; E53-M55 VanDerWaalsContact C-N 3.3Å; E53-M55 PolarHBondContact O-N 3.18Å; M55-G58 PolarHBondContact O-N 3.39Å; M55-L59 WeakPolarHBondContact O-CG 3.3Å; M55-L59 PolarHBondContact O-N 2.88Å |
| 56 | N | 78.8 | Confident | 72.5 | Confident | 115 Ų | 115 | 86.7 Ų | 86.7 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | -179.2 | -67.5 | -24.6 | 0 | 0 | 0 | 112.5 | N52 E53 G58 S60 | N52-N56 VanDerWaalsContact O-CG 3.29Å; N52-N56 PolarHBondContact O-N 3.45Å; N52-N56 PolarHBondContact O-ND2 3.05Å; E53-N56 PolarHBondContact O-N 3.21Å; N56-G58 VanDerWaalsContact C-N 3.31Å; N56-S60 PolarHBondContact O-N 3.41Å; N56-S60 PolarHBondContact O-OG 3.15Å; N56-S60 VanDerWaalsContact O-OG 3.12Å |
| 57 | S | 74.8 | Confident | 71.5 | Confident | 46 Ų | 46 | 90.9 Ų | 90.9 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.3 | -24.8 | 174.4 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | E53 V54 S60 K61 | E53-S57 WeakPolarHBondContact O-CB 3.34Å; E53-S57 PolarHBondContact O-N 3.31Å; E53-S57 PolarHBondContact O-OG 2.83Å; V54-S57 PolarHBondContact O-OG 2.92Å; S57-S60 WeakPolarHBondContact CA-OG 3.3Å; S57-S60 PolarHBondContact O-OG 3.33Å; S57-K61 WeakPolarHBondContact O-CB 3.3Å; S57-K61 VanDerWaalsContact O-CD 3.3Å; S57-K61 WeakPolarHBondContact O-CD 3.19Å; S57-K61 WeakPolarHBondContact O-CG 3.42Å; S57-K61 PolarHBondContact O-N 3.46Å |
| 58 | G | 72.5 | Confident | 70.5 | Confident | 24 Ų | 24 | 89.4 Ų | 89.4 | 25% | 0.247 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -72.5 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V54 M55 N56 S60 K61 L62 | V54-G58 VanDerWaalsContact O-CA 3.3Å; V54-G58 WeakPolarHBondContact O-CA 3.45Å; V54-G58 PolarHBondContact O-N 3.46Å; M55-G58 PolarHBondContact O-N 3.39Å; N56-G58 VanDerWaalsContact C-N 3.31Å; G58-S60 VanDerWaalsContact C-N 3.34Å; G58-S60 PolarHBondContact O-N 2.79Å; G58-K61 CarbonylContact O-C 3.56Å; G58-K61 PolarHBondContact O-N 3.35Å; G58-K61 VanDerWaalsContact O-N 3.15Å; G58-L62 WeakPolarHBondContact O-CB 3.48Å; G58-L62 VanDerWaalsContact O-CG 3.3Å; G58-L62 WeakPolarHBondContact O-CG 3.46Å; G58-L62 PolarHBondContact O-N 3.48Å |
| 59 | L | 70.9 | Confident | 69.2 | Low | 119 Ų | 119 | 88.8 Ų | 88.8 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | 178.2 | -72.9 | 170.3 | 0 | 0 | 0 | 112.2 | M55 K61 L62 A63 | M55-L59 WeakPolarHBondContact O-CG 3.3Å; M55-L59 PolarHBondContact O-N 2.88Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 3.01Å; L59-L62 PolarHBondContact O-N 3.16Å; L59-A63 WeakPolarHBondContact O-CB 3.36Å; L59-A63 PolarHBondContact O-N 3.14Å |
| 60 | S | 68.4 | Low | 67.8 | Low | 75 Ų | 75 | 88.2 Ų | 88.2 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65 | -35.1 | 176.1 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | N56 S57 G58 | N56-S60 PolarHBondContact O-N 3.41Å; N56-S60 PolarHBondContact O-OG 3.15Å; N56-S60 VanDerWaalsContact O-OG 3.12Å; S57-S60 WeakPolarHBondContact CA-OG 3.3Å; S57-S60 PolarHBondContact O-OG 3.33Å; G58-S60 VanDerWaalsContact C-N 3.34Å; G58-S60 PolarHBondContact O-N 2.79Å |
| 61 | K | 67.4 | Low | 66.4 | Low | 138 Ų | 138 | 89.4 Ų | 89.4 | 60% | 0.6 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -79.4 | -26.4 | 175.8 | -69.8 | 170.6 | -170.8 | 168.8 | 0 | 113.5 | S57 G58 L59 S64 V65 | S57-K61 WeakPolarHBondContact O-CB 3.3Å; S57-K61 VanDerWaalsContact O-CD 3.3Å; S57-K61 WeakPolarHBondContact O-CD 3.19Å; S57-K61 WeakPolarHBondContact O-CG 3.42Å; S57-K61 PolarHBondContact O-N 3.46Å; G58-K61 CarbonylContact O-C 3.56Å; G58-K61 PolarHBondContact O-N 3.35Å; G58-K61 VanDerWaalsContact O-N 3.15Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 3.01Å; K61-S64 PolarHBondContact O-OG 3.12Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å |
| 62 | L | 62.7 | Low | 64.9 | Low | 102 Ų | 102 | 92.8 Ų | 92.8 | 53% | 0.534 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.3 | -32.6 | 174.1 | -72.8 | 174.9 | 0 | 0 | 0 | 111.4 | G58 L59 S64 V65 | G58-L62 WeakPolarHBondContact O-CB 3.48Å; G58-L62 VanDerWaalsContact O-CG 3.3Å; G58-L62 WeakPolarHBondContact O-CG 3.46Å; G58-L62 PolarHBondContact O-N 3.48Å; L59-L62 PolarHBondContact O-N 3.16Å; L62-S64 PolarHBondContact O-N 3.26Å; L62-V65 PolarHBondContact O-N 2.98Å; L62-V65 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 63.3 | Low | 63.2 | Low | 90 Ų | 90 | 90.9 Ų | 90.9 | 74% | 0.744 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -23.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L59 | L59-A63 WeakPolarHBondContact O-CB 3.36Å; L59-A63 PolarHBondContact O-N 3.14Å |
| 64 | S | 62.6 | Low | 61.6 | Low | 91 Ų | 91 | 90.8 Ų | 90.8 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -4.4 | 176 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | K61 L62 P66 | K61-S64 PolarHBondContact O-OG 3.12Å; L62-S64 PolarHBondContact O-N 3.26Å; S64-P66 VanDerWaalsContact O-CD 3.32Å; S64-P66 WeakPolarHBondContact O-CD 3.32Å |
| 65 | V | 56.4 | Low | 59.7 | Low | 92 Ų | 92 | 93.1 Ų | 93.1 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -94.6 | 106.8 | 173 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | K61 L62 A67 | K61-V65 WeakPolarHBondContact O-CG2 3.43Å; L62-V65 PolarHBondContact O-N 2.98Å; L62-V65 VanDerWaalsContact O-N 3.14Å; V65-A67 PolarHBondContact O-N 2.99Å; V65-A67 VanDerWaalsContact O-N 3.16Å |
| 66 | P | 63.5 | Low | 57.9 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | trans | -60 | 124.6 | 175.1 | 23.3 | -30.3 | 0 | 0 | 0 | 108.8 | S64 G68 | S64-P66 VanDerWaalsContact O-CD 3.32Å; S64-P66 WeakPolarHBondContact O-CD 3.32Å; P66-G68 PolarHBondContact O-N 2.84Å | ||
| 67 | A | 59.9 | Low | 56.2 | Low | 115 Ų | 115 | 94.1 Ų | 94.1 | 95% | 0.95 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -69.6 | 26.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V65 | V65-A67 PolarHBondContact O-N 2.99Å; V65-A67 VanDerWaalsContact O-N 3.16Å |
| 68 | G | 53.7 | Low | 54.4 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -102.2 | 113.2 | 176 | 0 | 0 | 0 | 0 | 0 | 109.2 | P66 | P66-G68 PolarHBondContact O-N 2.84Š|
| 69 | G | 48.1 | Very low | 52.5 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -49.4 | 138.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V71 | G69-V71 PolarHBondContact O-N 3.42Š| ||
| 70 | A | 49.4 | Very low | 50.9 | Low | 104 Ų | 104 | 99.5 Ų | 99.5 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -57.9 | 104.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 71 | V | 48.8 | Very low | 49.1 | Very low | 134 Ų | 134 | 99.5 Ų | 99.5 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -133 | 66 | 147.7 | -164.1 | 0 | 0 | 0 | 0 | 107.9 | G69 A73 | G69-V71 PolarHBondContact O-N 3.42Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 2.97Å | ||
| 72 | A | 47 | Very low | 47.5 | Very low | 99 Ų | 99 | 97.8 Ų | 97.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -86.9 | 87 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 73 | A | 45 | Very low | 46.1 | Very low | 74 Ų | 74 | 98.3 Ų | 98.3 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | trans | -54.8 | 136.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | V71 A75 | V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 2.97Å; A73-A75 VanDerWaalsContact C-N 3.29Å; A73-A75 PolarHBondContact O-N 2.85Å | ||
| 74 | P | 46.7 | Very low | 44.5 | Very low | 132 Ų | 132 | 97 Ų | 97 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 95.1 | 171.3 | 28.8 | -29.1 | 0 | 0 | 0 | 107 | A76 | P74-A76 PolarHBondContact O-N 3.13Å; P74-A76 VanDerWaalsContact O-N 3.13Å | ||
| 75 | A | 38.4 | Very low | 43 | Very low | 98 Ų | 98 | 99.7 Ų | 99.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -66 | 111.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | A73 | A73-A75 VanDerWaalsContact C-N 3.29Å; A73-A75 PolarHBondContact O-N 2.85Å | ||
| 76 | A | 37.8 | Very low | 41.9 | Very low | 95 Ų | 95 | 99.1 Ų | 99.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -48.3 | 139.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P74 A78 | P74-A76 PolarHBondContact O-N 3.13Å; P74-A76 VanDerWaalsContact O-N 3.13Å; A76-A78 PolarHBondContact O-N 3.3Å | ||
| 77 | A | 43.4 | Very low | 40.3 | Very low | 109 Ų | 109 | 98.9 Ų | 98.9 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -58.3 | 120.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 78 | A | 35.8 | Very low | 39.1 | Very low | 104 Ų | 104 | 98 Ų | 98 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -167.8 | 126.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | A76 | A76-A78 PolarHBondContact O-N 3.3Š| ||
| 79 | G | 33.1 | Very low | 38.9 | Very low | 66 Ų | 66 | 101.2 Ų | 101.2 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 161.5 | 135.2 | 13 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 80 | S | 37.3 | Very low | 38.2 | Very low | 132 Ų | 132 | 102.1 Ų | 102.1 | 92% | 0.923 | 81% | 0.812 | S | S | * | * | trans | 47.8 | 129.4 | 152.9 | 60.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 81 | G | 30.5 | Very low | 37.6 | Very low | 75 Ų | 75 | 102 Ų | 102 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 140.1 | 79.6 | 152 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 82 | A | 34 | Very low | 36.9 | Very low | 102 Ų | 102 | 100.3 Ų | 100.3 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | 64.3 | 106.8 | 90.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 83 | A | 33 | Very low | 36.3 | Very low | 112 Ų | 112 | 104 Ų | 104 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | 51.1 | 132.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 84 | G | 30.8 | Very low | 36.1 | Very low | 63 Ų | 63 | 108.7 Ų | 108.7 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | trans | 156.1 | 91.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 85 | T | 30.2 | Very low | 36.4 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | trans | 60.8 | 121.8 | 132.8 | 60.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 86 | G | 32.8 | Very low | 36.8 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -80 | 178.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 87 | A | 30.8 | Very low | 36.8 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -169.1 | 104.2 | 151 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 88 | A | 35 | Very low | 37 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | -77.7 | 164.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 89 | P | 48.6 | Very low | 37.6 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | cis | -146.2 | 175 | 24.8 | 40.1 | -19.1 | 0 | 0 | 0 | 116.4 | ||||
| 90 | A | 34.1 | Very low | 38 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 84% | 0.839 | S | S | * | * | trans | 166.2 | 102 | 143.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 91 | A | 36.5 | Very low | 38 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | 66.5 | 114.1 | 61.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 92 | A | 34.3 | Very low | 38.6 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 102 | 137.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 93 | E | 34.2 | Very low | 39.4 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | trans | 81.3 | 116.9 | 170.4 | -65.2 | -176.8 | 166 | 0 | 0 | 115.4 | ||||
| 94 | E | 40.9 | Very low | 40 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | cis | -156.1 | 125.9 | 15.4 | -98.6 | 167.7 | 155.2 | 0 | 0 | 110.3 | ||||
| 95 | K | 52.5 | Low | 40.6 | Very low | 215 Ų | 215 | 152.7 Ų | 152.7 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | trans | -82 | 103.2 | 152.7 | -87.5 | 177.9 | 171.8 | 175.2 | 0 | 107.2 | ||||
| 96 | K | 46.9 | Very low | 41.6 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -166.8 | 140.4 | 153.9 | -121.6 | 173.7 | 178.1 | 180 | 0 | 109 | ||||
| 97 | E | 39.3 | Very low | 42.9 | Very low | 195 Ų | 195 | 154.9 Ų | 154.9 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | 95 | 39.2 | 176.6 | -53.9 | -175.3 | 168.3 | 0 | 0 | 117.5 | ||||
| 98 | E | 45.7 | Very low | 44 | Very low | 196 Ų | 196 | 158.4 Ų | 158.4 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -81.8 | 131.8 | 133.6 | -84.5 | 178.6 | 158.8 | 0 | 0 | 107.9 | ||||
| 99 | K | 49.2 | Very low | 45.3 | Very low | 208 Ų | 208 | 161.7 Ų | 161.7 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | 104 | 69.9 | 165.8 | -151 | 175 | -168.9 | 174.1 | 0 | 117.6 | ||||
| 100 | K | 41.1 | Very low | 46 | Very low | 176 Ų | 176 | 165 Ų | 165 | 77% | 0.765 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -158.2 | 125.2 | 137.4 | -127 | -175.6 | 174.6 | -131 | 0 | 110.9 | ||
| 101 | E | 37.7 | Very low | 47.8 | Very low | 146 Ų | 146 | 163.2 Ų | 163.2 | 68% | 0.682 | 84% | 0.838 | S | S | * | * | trans | 83.5 | 58.1 | 152.5 | -66 | 153.3 | -162.8 | 0 | 0 | 117.5 | ||||
| 102 | E | 44.1 | Very low | 49.1 | Very low | 189 Ų | 189 | 168.6 Ų | 168.6 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | -58.2 | 144 | 126.1 | -86.2 | 174.4 | 144.9 | 0 | 0 | 108.4 | |||||
| 103 | S | 49.5 | Very low | 50.7 | Low | 110 Ų | 110 | 167.3 Ų | 167.3 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | 90.8 | 127.3 | 176.5 | 60.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 104 | E | 46.5 | Very low | 52.4 | Low | 199 Ų | 199 | 166.2 Ų | 166.2 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | S | Bend | trans | 85.4 | 89.4 | -175.2 | -56.2 | 177.6 | 158.5 | 0 | 0 | 113.4 | ||
| 105 | E | 42.1 | Very low | 53.6 | Low | 185 Ų | 185 | 168 Ų | 168 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | S | Bend | 176.9 | 54.3 | 92.6 | -166.8 | -176.5 | -162.3 | 0 | 0 | 109.4 | |||
| 106 | S | 52.9 | Low | 53.8 | Low | 119 Ų | 119 | 168.7 Ų | 168.7 | 83% | 0.832 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -126.9 | 34 | 176.5 | -82.7 | 0 | 0 | 0 | 0 | 113 | ||
| 107 | D | 58.3 | Low | 54.1 | Low | 155 Ų | 155 | 167.6 Ų | 167.6 | 83% | 0.829 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -123.2 | -1.9 | -179.9 | -101.9 | -44.7 | 0 | 0 | 0 | 115.2 | ||
| 108 | E | 55.2 | Low | 54.9 | Low | 177 Ų | 177 | 166.1 Ų | 166.1 | 83% | 0.827 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -112.2 | -10 | -176 | -73.8 | 167.7 | 175.5 | 0 | 0 | 115 | ||
| 109 | D | 61.1 | Low | 55.4 | Low | 163 Ų | 163 | 164.4 Ų | 164.4 | 87% | 0.872 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -111.2 | 7.8 | -179.5 | -157.3 | 34.8 | 0 | 0 | 0 | 114.3 | ||
| 110 | M | 64.6 | Low | 55.8 | Low | 196 Ų | 196 | 161.9 Ų | 161.9 | 97% | 0.966 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -124.3 | 23.9 | 168.2 | -67.5 | -155 | -168.3 | 0 | 0 | 112.6 | ||
| 111 | G | 70.6 | Confident | 56.7 | Low | 57 Ų | 57 | 161 Ų | 161 | 59% | 0.588 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -137.7 | 2.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 112 | F | 64.9 | Low | 58 | Low | 214 Ų | 214 | 162 Ų | 162 | 94% | 0.939 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -133.6 | 31.9 | -175.2 | -135.3 | -91 | 0 | 0 | 0 | 115.9 | ||
| 113 | G | 67.6 | Low | 59 | Low | 72 Ų | 72 | 160.1 Ų | 160.1 | 74% | 0.742 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -146.2 | 24.7 | -179 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 114 | L | 69.6 | Low | 59.7 | Low | 155 Ų | 155 | 163.9 Ų | 163.9 | 81% | 0.812 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -123.9 | 8.5 | 178 | -163.9 | 55 | 0 | 0 | 0 | 114.4 | ||
| 115 | F | 66 | Low | 60.8 | Low | 210 Ų | 210 | 161 Ų | 161 | 92% | 0.921 | 87% | 0.868 | S | S | * | * | trans | -141.7 | 37.9 | 170.7 | -76.1 | -78.7 | 0 | 0 | 0 | 112.7 | ||||
| 116 | D | 56.5 | Low | 62.5 | Low | 229 Ų | 229 | 158.8 Ų | 158.8 | 100% | 1.225 | 87% | 0.868 | S | S | * | * | trans | -121.6 | 0 | 149.9 | -164.7 | 50.8 | 0 | 0 | 0 | 109 |
Retrieved 116 of 116 residues in 68.9 ms
(Link to these results)